SCHEMBL97239

SCHEMBL97239

[CH2]CCc1ccc(CC(O)C(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
TAAR1 Q96RJ0 3/20 0.35
PLA2G1B P04054 1/20 0.35
SLC6A2 P23975 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
SLC6A4 P31645 2/20 0.33
SIGMAR1 Q99720 2/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2A P28223 1/20 0.32
PTGS2 P35354 1/20 0.32
AKR1C3 P42330 1/20 0.32
NR1I3 Q14994 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5494800 0.79 PTGS2 (0.44) ESR1LMNAALBALOX5RARB
SCHEMBL107844 0.77 TAAR1 (0.59) TAAR1SLC6A2ESR1ESR2SLC6A4
SCHEMBL13958796 0.76 ALDH1A1 (0.44) TRPA1TAAR1PLA2G1BSLC6A2ESR1
SCHEMBL28702008 0.75 TRPA1 (0.57) TRPA1TAAR1LMNA
SCHEMBL107335 0.74 TRPA1 (0.61) TRPA1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL7476104 0.73 CYP3A4 (0.43) TRPA1LMNA
SCHEMBL2745550 0.72 GFER (0.42) TAAR1SLC6A2ESR1ESR2HTR2A
SCHEMBL28714838 0.72 SLC6A4 (0.60) SLC6A4ADRB3
Hydrochloric Acid SCHEMBL4646601 0.71 TRPA1 (0.57) TRPA1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL3026563 0.71 TRPA1 (0.38) TRPA1TAAR1PLA2G1BSLC6A2ESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TRPA1 236/4885TAAR1 351/4885PLA2G1B 3922/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TRPA1 1926/4885TAAR1 2154/4885PLA2G1B 2788/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TRPA1 1519/4885TAAR1 1639/4885PLA2G1B 4809/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TRPA1 831/4885TAAR1 644/4885PLA2G1B 3636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.